IFLAB-ZINC04519080 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -4.8650 -1.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -4.8790 1.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -5.0080 -0.0070 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1620 -4.6130 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -6.5340 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 -7.0780 1.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 -8.4100 1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 -9.1580 0.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -8.9640 2.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -8.2160 3.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -10.2960 2.7940 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -10.8400 3.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -4.4480 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 -3.5930 -1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 -3.3340 -2.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -4.0450 -3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -4.7140 -2.5030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -6.8210 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -6.9290 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -6.4800 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -10.8940 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -11.9270 3.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -10.5530 3.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -10.4450 4.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9030 -3.1840 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 -2.6880 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 -4.0720 -4.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 M END